2-[[5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid

C17H15N5O4S — CID 71719460

IUPAC2-[[5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid
SMILESCc1nc(NC(=O)c2ccccc2)sc1-c1cc(C(=O)NCC(=O)O)n[nH]1
InChIInChI=1S/C17H15N5O4S/c1-9-14(11-7-12(22-21-11)16(26)18-8-13(23)24)27-17(19-9)20-15(25)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,18,26)(H,21,22)(H,23,24)(H,19,20,25)
InChIKeyJWPKSCWNQNGZRQ-UHFFFAOYSA-N
MW385.41 g/mol
LogP1.91
Rot. Bonds6

About 2-[[5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid

2-[[5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid (PubChem CID 71719460) has the molecular formula C17H15N5O4S and a molecular weight of 385.41 g/mol. Its IUPAC name is 2-[[5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid
PubChem CID71719460
Molecular FormulaC17H15N5O4S
Molecular Weight385.41 g/mol
Exact Mass385.08
IUPAC Name2-[[5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid
SMILESCc1nc(NC(=O)c2ccccc2)sc1-c1cc(C(=O)NCC(=O)O)n[nH]1
InChIInChI=1S/C17H15N5O4S/c1-9-14(11-7-12(22-21-11)16(26)18-8-13(23)24)27-17(19-9)20-15(25)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,18,26)(H,21,22)(H,23,24)(H,19,20,25)
InChIKeyJWPKSCWNQNGZRQ-UHFFFAOYSA-N
XLogP1.91
TPSA137.07 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid (CID 71719460) is 2-[[5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid is Cc1nc(NC(=O)c2ccccc2)sc1-c1cc(C(=O)NCC(=O)O)n[nH]1.
What is the InChIKey of 2-[[5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid?
The InChIKey is JWPKSCWNQNGZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O4S/c1-9-14(11-7-12(22-21-11)16(26)18-8-13(23)24)27-17(19-9)20-15(25)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,18,26)(H,21,22)(H,23,24)(H,19,20,25).
What are the key properties of 2-[[5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid?
2-[[5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid has a molecular weight of 385.41 g/mol, XLogP of 1.91, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 71719460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).